6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione

C15H18F3N3O3 — CID 138030330

IUPAC6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=C(N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1)C1(C(F)(F)F)CCCC1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)14(4-1-2-5-14)12(23)21-6-3-9(8-21)10-7-11(22)20-13(24)19-10/h7,9H,1-6,8H2,(H2,19,20,22,24)
InChIKeyHZNKATHFBOLSCE-UHFFFAOYSA-N
MW345.32 g/mol
LogP1.50
Rot. Bonds2

About 6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione

6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 138030330) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID138030330
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=C(N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1)C1(C(F)(F)F)CCCC1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)14(4-1-2-5-14)12(23)21-6-3-9(8-21)10-7-11(22)20-13(24)19-10/h7,9H,1-6,8H2,(H2,19,20,22,24)
InChIKeyHZNKATHFBOLSCE-UHFFFAOYSA-N
XLogP1.50
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione (CID 138030330) is 6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione is O=C(N1CCC(c2cc(=O)[nH]c(=O)[nH]2)C1)C1(C(F)(F)F)CCCC1.
What is the InChIKey of 6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is HZNKATHFBOLSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c16-15(17,18)14(4-1-2-5-14)12(23)21-6-3-9(8-21)10-7-11(22)20-13(24)19-10/h7,9H,1-6,8H2,(H2,19,20,22,24).
What are the key properties of 6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 345.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 138030330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).